(2Z,4Z)-hexa-2,4-dienedioate

C6H4O4-2 — CID 7310978

IUPAC(2Z,4Z)-hexa-2,4-dienedioate
SMILESO=C([O-])/C=C\C=C/C(=O)[O-]
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/p-2/b3-1-,4-2-
InChIKeyTXXHDPDFNKHHGW-CCAGOZQPSA-L
MW140.09 g/mol
LogP-2.40
Rot. Bonds3

About (2Z,4Z)-hexa-2,4-dienedioate

(2Z,4Z)-hexa-2,4-dienedioate (PubChem CID 7310978) has the molecular formula C6H4O4-2 and a molecular weight of 140.09 g/mol. Its IUPAC name is (2Z,4Z)-hexa-2,4-dienedioate.

Molecular Properties

Compound Name(2Z,4Z)-hexa-2,4-dienedioate
PubChem CID7310978
Molecular FormulaC6H4O4-2
Molecular Weight140.09 g/mol
Exact Mass140.01
IUPAC Name(2Z,4Z)-hexa-2,4-dienedioate
SMILESO=C([O-])/C=C\C=C/C(=O)[O-]
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/p-2/b3-1-,4-2-
InChIKeyTXXHDPDFNKHHGW-CCAGOZQPSA-L
XLogP-2.40
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-hexa-2,4-dienedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Potassium Sorbate
CID 23676745
Muconic Acid
CID 5356793
Fumarate
CID 5460307
Sodium Sorbate
CID 23665582
Calcium sorbate
CID 6433506
Maleate(2-)
CID 5288227
cis,cis-Muconic acid
CID 5280518
CID 21883788
CID 21883788
(Z)-but-2-enedioate;hydron
CID 173000668
Potassium 2,4-hexadienoate
CID 23673839
Penta-2,4-dienoic acid
CID 642034
Crotonate
CID 6971246

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-hexa-2,4-dienedioate?
The IUPAC name of (2Z,4Z)-hexa-2,4-dienedioate (CID 7310978) is (2Z,4Z)-hexa-2,4-dienedioate.
What is the SMILES notation for (2Z,4Z)-hexa-2,4-dienedioate?
The canonical SMILES for (2Z,4Z)-hexa-2,4-dienedioate is O=C([O-])/C=C\C=C/C(=O)[O-].
What is the InChIKey of (2Z,4Z)-hexa-2,4-dienedioate?
The InChIKey is TXXHDPDFNKHHGW-CCAGOZQPSA-L. The full InChI is InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/p-2/b3-1-,4-2-.
What are the key properties of (2Z,4Z)-hexa-2,4-dienedioate?
(2Z,4Z)-hexa-2,4-dienedioate has a molecular weight of 140.09 g/mol, XLogP of -2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-hexa-2,4-dienedioate is sourced from PubChem (CID 7310978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).